#MD System 2.0 @Title neb0_image07 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.218173999258 0.526323218501 0.331057174135} C1 1 1 14 {} {0.272122535026 0.489358618307 0.289288921139} Si1 2 1 14 {} {0.171498067556 0.534815563534 0.250049889725} Si2 3 1 8 {} {0.284716639253 0.522384582193 0.191455007049} O1 4 1 8 {} {0.312117424781 0.509687889609 0.360178431122} O2 5 1 6 {} {0.270172607769 0.396164327415 0.282220742443} C2 6 1 6 {} {0.139967769632 0.455088403624 0.232332829379} C3 7 1 8 {} {0.196007020944 0.56070203336 0.155823419465} O3 8 1 8 {} {0.136160688577 0.595872334003 0.277029114456} O4 9 1 14 {} {0.363607988021 0.53850897471 0.365234253414} Si3 10 1 7 {} {0.398063797651 0.475489291123 0.407159832991} N1 11 1 14 {} {0.451700140695 0.473000661025 0.364633234987} Si4 12 1 14 {} {0.377867478659 0.421451023026 0.489995804945} Si5 13 1 7 {} {0.348782936139 0.459210165179 0.575221246708} N2 14 1 7 {} {0.471559631272 0.554521696584 0.367363815856} N3 15 1 1 {} {0.206590283339 0.497688993244 0.389538333053} H1 16 1 1 {} {0.226047929886 0.577136433338 0.355231979926} H2 17 1 1 {} {0.259197569896 0.542529343853 0.160685152787} H3 18 1 1 {} {0.265013628461 0.37315734559 0.348034840993} H4 19 1 1 {} {0.301884256425 0.377101371306 0.25547272871} H5 20 1 1 {} {0.243392577887 0.379038431989 0.237536419117} H6 21 1 1 {} {0.113448300784 0.461276108287 0.18227168265} H7 22 1 1 {} {0.124425260224 0.43733738174 0.294520345758} H8 23 1 1 {} {0.162373338206 0.415280954646 0.208714617477} H9 24 1 1 {} {0.177491850399 0.583738911173 0.11255882083} H10 25 1 1 {} {0.107765802927 0.583551595056 0.303087865457} H11 26 1 1 {} {0.379958370248 0.558500163934 0.275471978223} H12 27 1 1 {} {0.36247719915 0.597313918724 0.426315935337} H13 28 1 1 {} {0.47680007413 0.422215250604 0.418378404494} H14 29 1 1 {} {0.454918250547 0.456322656756 0.268794963471} H15 30 1 1 {} {0.346499818985 0.372276708965 0.449447011624} H16 31 1 1 {} {0.41742262628 0.387182307836 0.528914866995} H17 32 1 1 {} {0.317227974635 0.47568935672 0.564173370582} H18 33 1 1 {} {0.364806058957 0.489581957723 0.619085930409} H19 34 1 1 {} {0.496873335696 0.568368771755 0.326591797785} H20 35 1 1 {} {0.477127693277 0.57622932785 0.427263771131} H21 36 1 6 {} {0.642236233669 0.639621270369 0.481533956133} C4 37 1 14 {} {0.603294985636 0.575968806746 0.434262646836} Si6 38 1 14 {} {0.639659213997 0.726138788011 0.436761248228} Si7 39 1 8 {} {0.59986043149 0.584063847829 0.324421686992} O5 40 1 8 {} {0.622254650842 0.500896444931 0.457930160727} O6 41 1 6 {} {0.547614027433 0.583021302692 0.485942486569} C5 42 1 6 {} {0.592069185938 0.776612447618 0.481502825503} C6 43 1 8 {} {0.635298240686 0.715372531359 0.326257354021} O7 44 1 8 {} {0.687230679336 0.767557608287 0.452420486389} O8 45 1 14 {} {0.632787206156 0.423030591457 0.430187250468} Si8 46 1 7 {} {0.587505992562 0.370859970195 0.448204088018} N4 47 1 14 {} {0.568061422617 0.321481103177 0.359761859395} Si9 48 1 14 {} {0.562740062598 0.367582421533 0.554516454707} Si10 49 1 7 {} {0.598020938698 0.386273045866 0.641300442931} N5 50 1 7 {} {0.602962508283 0.258816538916 0.322226113442} N6 51 1 1 {} {0.637861893665 0.641020851931 0.554544822249} H22 52 1 1 {} {0.676201662902 0.620822216821 0.469153886873} H23 53 1 1 {} {0.612482472444 0.626236839036 0.302315758006} H24 54 1 1 {} {0.54622721342 0.57219437507 0.557675546219} H25 55 1 1 {} {0.527678515948 0.543904925612 0.454751158448} H26 56 1 1 {} {0.531612039205 0.63122097885 0.472563312624} H27 57 1 1 {} {0.591303882122 0.82704398499 0.452077801521} H28 58 1 1 {} {0.59411169048 0.782145418368 0.554444229561} H29 59 1 1 {} {0.559991964671 0.752489097775 0.466294965234} H30 60 1 1 {} {0.643357860871 0.752771721548 0.288338667884} H31 61 1 1 {} {0.687608211588 0.802575716259 0.497030136417} H32 62 1 1 {} {0.64435643701 0.418040049625 0.333344643349} H33 63 1 1 {} {0.672009266547 0.402762213483 0.484900722706} H34 64 1 1 {} {0.526204679044 0.28971211018 0.392593346045} H35 65 1 1 {} {0.55977209879 0.364516102082 0.280253778701} H36 66 1 1 {} {0.525661664455 0.416987284115 0.561316559622} H37 67 1 1 {} {0.54561358995 0.298084097788 0.56652664987} H38 68 1 1 {} {0.604610221994 0.434949690909 0.656710706812} H39 69 1 1 {} {0.625139480748 0.357167523586 0.654883010329} H40 70 1 1 {} {0.627544904285 0.270045975596 0.278170904171} H41 71 1 1 {} {0.612471400305 0.221218977845 0.363553929569} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end